Geometry & MOs

Info

ID:	45019
PubChem CID:	10507248
Reduced:	SO3C36H56 (1)
Stoich.:	AB3C36D56 (1)
Weight, g/mol:	567.71167
ΔH_f, kcal/mol:	-142.62
Dipole, Da:	4.76
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(4-bromothiophen-2-yl)thiophene;4-bromo-2-thiophen-2-ylthiophene

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]5C[C@@H](OOC5(C4)O)CSC6=CC=CC=C6)C)C

DOS

IR

Vibrations